ethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole

C75H119N7OS2Se — CID 158851888

IUPACethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2ccccn2n1.CC(C)c1ccc2ccccc2n1.CC(C)c1nc2ccccc2[se]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nccs1
InChIInChI=1S/C12H13N.C10H12N2.C10H11NO.C10H11NS.C10H11NSe.C6H9NS.8C2H6.CH4/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)10-7-9-5-3-4-6-12(9)11-10;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)6-7-3-4-8-6;8*1-2;/h3-9H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3;8*1-2H3;1H4
InChIKeyIZODVEZIOQBDTE-UHFFFAOYSA-N
MW1277.92 g/mol
LogP25.71
Rot. Bonds6

About ethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole

ethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole (PubChem CID 158851888) has the molecular formula C75H119N7OS2Se and a molecular weight of 1277.92 g/mol. Its IUPAC name is ethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Nameethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole
PubChem CID158851888
Molecular FormulaC75H119N7OS2Se
Molecular Weight1277.92 g/mol
Exact Mass1277.81
IUPAC Nameethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2ccccn2n1.CC(C)c1ccc2ccccc2n1.CC(C)c1nc2ccccc2[se]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nccs1
InChIInChI=1S/C12H13N.C10H12N2.C10H11NO.C10H11NS.C10H11NSe.C6H9NS.8C2H6.CH4/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)10-7-9-5-3-4-6-12(9)11-10;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)6-7-3-4-8-6;8*1-2;/h3-9H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3;8*1-2H3;1H4
InChIKeyIZODVEZIOQBDTE-UHFFFAOYSA-N
XLogP25.71
TPSA94.89 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001277.92
LogP ≤ 525.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 157473702
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxy-3-methylpent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 157503583
tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 157683637
tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 157820441
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 158078406
tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 158281340
tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 160059048
3-(4,5-Dimethyl-1,2-thiazol-3-yl)-2,2,5,5-tetrafluorocyclopent-3-en-1-one;pentakis(iridium);1-methyl-3-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)indazole;5-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-1,3-thiazole;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-1,3-benzothiazole;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-1,3-benzoxazole
CID 161661978
Hexazinc;bis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(3,5-dimethylpyrrol-2-ylidene)methyl]-1,3-benzothiazole);bis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(3,5-dimethylpyrrol-2-ylidene)methyl]-1,3-benzoxazole);bis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(3,5-dimethylpyrrol-2-ylidene)methyl]-1,3-oxazole);bis(4-[(3,5-dimethylpyrrol-1-id-2-yl)-(3,5-dimethylpyrrol-2-ylidene)methyl]pyridine);bis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(3,5-dimethylpyrrol-2-ylidene)methyl]-1,3-thiazole);2-[(3,5-dimethylpyrrol-1-id-2-yl)-(5-methylthiophen-2-yl)methylidene]-3,5-dimethylpyrrole;2-[(3,5-dimethylpyrrol-1-id-2-yl)-[5-(trifluoromethyl)thiophen-2-yl]methylidene]-3,5-dimethylpyrrole
CID 161738134
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 162126941
platinum(2+);2-[9-[3-pyridin-2-yl-5-(1,3-thiazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-6-(1,3-thiazol-2-yl)-1,3-benzoxazole
CID 142328851
2,5-Dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylindazole
CID 144271836

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole?
The IUPAC name of ethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole (CID 158851888) is ethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for ethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for ethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole is C.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2ccccn2n1.CC(C)c1ccc2ccccc2n1.CC(C)c1nc2ccccc2[se]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nccs1.
What is the InChIKey of ethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole?
The InChIKey is IZODVEZIOQBDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C10H12N2.C10H11NO.C10H11NS.C10H11NSe.C6H9NS.8C2H6.CH4/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)10-7-9-5-3-4-6-12(9)11-10;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)6-7-3-4-8-6;8*1-2;/h3-9H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3;8*1-2H3;1H4.
What are the key properties of ethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole?
ethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole has a molecular weight of 1277.92 g/mol, XLogP of 25.71, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158851888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).